2-[4-chloranyl-2-(trifluoromethyl)phenyl]-3-methyl-5-oxidanylidene-pyridazine-4-carboxylic acid

Systemtic Name: 2-[4-chloranyl-2-(trifluoromethyl)phenyl]-3-methyl-5-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 2-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-5-oxo-pyridazine-4-carboxylic acid CAS Name: 2-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-5-oxo-4-pyridazinecarboxylic acid IUPAC Name: 2-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-5-oxopyridazine-4-carboxylic acid Traditional Name: 2-[4-chloro-2-(trifluoromethyl)phenyl]-5-keto-3-methyl-pyridazine-4-carboxylic acid Formula: C13H8ClF3N2O3 MolecularWeight: 332.66243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=NN1C2=C(C=C(C=C2)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(=O)C=NN1C2=C(C=C(C=C2)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H8ClF3N2O3/c1-6-11(12(21)22)10(20)5-18-19(6)9-3-2-7(14)4-8(9)13(15,16)17/h2-5H,1H3,(H,21,22)